N-{2-[benzyl(methyl)amino]ethyl}-4-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-{2-[benzyl(methyl)amino]ethyl}-4-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
N-{2-[benzyl(methyl)amino]ethyl}-4-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | K788-5731 |
| Compound Name: | N-{2-[benzyl(methyl)amino]ethyl}-4-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 531.66 |
| Molecular Formula: | C34 H33 N3 O3 |
| Smiles: | Cc1ccc(CN2C(/C(=C\c3ccc(cc3)C(NCCN(C)Cc3ccccc3)=O)Oc3ccccc23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.6395 |
| logD: | 5.4332 |
| logSw: | -5.5211 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.382 |
| InChI Key: | IQEUMANJVAMWKF-UHFFFAOYSA-N |